Cas no 16325-89-6 (3-butylbenzenethiol)

3-Butylbenzenethiol (CAS: 1000-88-4) is a sulfur-containing aromatic compound characterized by a butyl substituent on the benzene ring. This thiol derivative is notable for its strong nucleophilic and metal-binding properties, making it valuable in organic synthesis, coordination chemistry, and material science applications. Its hydrophobic butyl chain enhances solubility in nonpolar solvents, while the thiol group provides reactivity for functionalization or surface modification. The compound is used in ligand design, catalysis, and as a building block for specialty chemicals. Proper handling is required due to its pungent odor and potential sensitivity to oxidation. Storage under inert conditions is recommended to preserve stability.
3-butylbenzenethiol structure
3-butylbenzenethiol structure
Product Name:3-butylbenzenethiol
CAS No:16325-89-6
MF:C10H14S
MW:166.283161640167
MDL:MFCD17015414
CID:1342734
PubChem ID:20027789
Update Time:2025-05-28

3-butylbenzenethiol Chemical and Physical Properties

Names and Identifiers

    • LogP
    • 3-butylbenzenethiol
    • 3-N-BUTYLBENZENETHIOL
    • DB-208294
    • DTXSID60601799
    • 16325-89-6
    • SCHEMBL1532723
    • 3-Butylbenzene-1-thiol
    • Benzenethiol, 3-butyl-
    • MDL: MFCD17015414
    • Inchi: 1S/C10H14S/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8,11H,2-3,5H2,1H3
    • InChI Key: LPVIODAMAHTWHF-UHFFFAOYSA-N
    • SMILES: SC1=CC=CC(=C1)CCCC

Computed Properties

  • Exact Mass: 166.08172
  • Monoisotopic Mass: 166.08162162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 1?2

Experimental Properties

  • Density: 0.99
  • Boiling Point: 249.3°C at 760 mmHg
  • Flash Point: 109.4°C
  • Refractive Index: 1.547
  • PSA: 0

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3-butylbenzenethiol Suppliers

Amadis Chemical Company Limited
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(CAS:16325-89-6)3-butylbenzenethiol
Order Number:A1133223
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 22:34
Price ($):539.0

Additional information on 3-butylbenzenethiol

Recent Advances in the Study of 3-Butylbenzenethiol (CAS: 16325-89-6) in Chemical Biology and Pharmaceutical Research

3-Butylbenzenethiol (CAS: 16325-89-6) is a sulfur-containing aromatic compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by a butyl group attached to a benzene ring with a thiol functional group, exhibits unique chemical properties that make it a valuable intermediate in organic synthesis and drug development. Recent studies have explored its role in the synthesis of bioactive molecules, its interactions with biological targets, and its potential therapeutic applications.

One of the key areas of research involving 3-butylbenzenethiol is its use as a building block in the synthesis of more complex molecules. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the preparation of thiol-containing inhibitors for cysteine proteases, which are implicated in various diseases, including cancer and neurodegenerative disorders. The researchers highlighted the compound's ability to form stable covalent bonds with the active-site cysteine residues of these enzymes, leading to potent inhibition.

In addition to its synthetic applications, 3-butylbenzenethiol has been investigated for its direct biological effects. A recent preprint on bioRxiv reported that this compound exhibits moderate antimicrobial activity against Gram-positive bacteria, suggesting its potential as a lead compound for the development of new antibiotics. The study also noted that the butyl group's hydrophobicity plays a critical role in enhancing membrane penetration, a finding that could inform the design of more effective antimicrobial agents.

Another promising avenue of research involves the use of 3-butylbenzenethiol in drug delivery systems. A 2024 paper in ACS Applied Materials & Interfaces described its incorporation into polymeric nanoparticles designed for targeted drug release. The thiol group's reactivity allowed for facile conjugation with drug molecules, while the butyl group contributed to the nanoparticles' stability in physiological environments. This dual functionality positions 3-butylbenzenethiol as a versatile component in nanomedicine.

Despite these advances, challenges remain in the widespread application of 3-butylbenzenethiol. Issues such as its relatively low solubility in aqueous media and potential toxicity at higher concentrations need to be addressed. Ongoing research is exploring structural modifications to mitigate these limitations while preserving the compound's beneficial properties. For instance, a recent patent application disclosed a series of derivatives with improved pharmacokinetic profiles, underscoring the continued interest in optimizing this chemical scaffold.

In conclusion, 3-butylbenzenethiol (CAS: 16325-89-6) represents a promising compound in chemical biology and pharmaceutical research, with applications ranging from drug synthesis to antimicrobial development and nanomedicine. Future studies are expected to further elucidate its mechanisms of action and expand its therapeutic potential, making it a compound to watch in the coming years.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:16325-89-6)3-butylbenzenethiol
A1133223
Purity:99%
Quantity:1g
Price ($):539.0
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